| Entry |
|
|---|
| Name |
Binospirone mesylate (USAN) |
|---|
| Formula |
C20H26N2O4. CH4SO3
|
|---|
| Exact mass |
454.1774
|
|---|
| Mol weight |
454.54
|
|---|
| Structure |
|
|---|
| Class |
Neuropsychiatric agent
DG01483 5-HT1A-receptor agonist
|
|---|
| Efficacy |
Antianxiety, Serotonin 5-HT1A receptor agonist |
|---|
| Comment |
Buspirone derivative
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01483 5-HT1A-receptor agonist
D03121 Binospirone mesylate
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Serotonin
HTR1A
D03121 Binospirone mesylate (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 31
1 O2x O 20.8241 -21.3034
2 C1x C 22.0317 -20.6007
3 C1y C 22.0317 -19.2027
4 O2x O 20.8241 -18.5000
5 C8y C 19.6093 -20.6007
6 C8y C 19.6093 -19.2027
7 C8x C 18.3975 -18.5000
8 C8x C 17.1858 -19.2027
9 C8x C 17.1858 -20.6007
10 C8x C 18.3975 -21.3034
11 N1b N 24.4548 -19.2027
12 C1b C 23.2433 -18.5032
13 C1b C 26.8778 -19.2027
14 C1b C 25.6663 -18.5032
15 C5x C 29.3009 -19.2027
16 N1y N 28.0893 -18.5032
17 C1x C 30.5123 -18.5032
18 C1z C 30.5123 -17.1043
19 C1x C 29.3009 -16.4048
20 C5x C 28.0893 -17.1043
21 O5x O 26.8407 -16.3839
22 O5x O 29.3013 -20.5689
23 C1x C 30.5123 -15.7043
24 C1x C 31.8438 -17.5369
25 C1x C 32.6667 -16.4043
26 C1x C 31.8438 -15.2717
27 O1d O 36.1579 -17.9556
28 S4a S 36.1579 -19.3584
29 C1a C 34.7552 -19.3584
30 O1d O 37.5607 -19.3584
31 O1d O 36.1579 -20.7612
BOND 33
1 4 6 1
2 5 6 2
3 6 7 1
4 7 8 2
5 8 9 1
6 9 10 2
7 10 5 1
8 5 1 1
9 1 2 1
10 2 3 1
11 3 4 1
12 11 12 1
13 3 12 1
14 13 14 1
15 11 14 1
16 15 16 1
17 13 16 1
18 15 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 16 20 1
23 20 21 2
24 15 22 2
25 18 23 1
26 18 24 1
27 24 25 1
28 25 26 1
29 23 26 1
30 27 28 2
31 28 29 1
32 28 30 1
33 28 31 2
|
|---|
